5-oxidanylidene-6-[[3-(2-propan-2-yloxyphenyl)piperazin-1-yl]amino]octanoic acid

Systemtic Name: 5-oxidanylidene-6-[[3-(2-propan-2-yloxyphenyl)piperazin-1-yl]amino]octanoic acid Openeye Name: 6-[[3-(2-isopropoxyphenyl)piperazin-1-yl]amino]-5-oxo-octanoic acid CAS Name: 5-oxo-6-[[3-(2-propan-2-yloxyphenyl)-1-piperazinyl]amino]octanoic acid IUPAC Name: 5-oxo-6-[[3-(2-propan-2-yloxyphenyl)piperazin-1-yl]amino]octanoic acid Traditional Name: 6-[[3-(2-isopropoxyphenyl)piperazino]amino]-5-keto-caprylic acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CCCC(=O)O)NN1CCNC(C1)C2=CC=CC=C2OC(C)C

Isomeric SMILES

CCC(C(=O)CCCC(=O)O)NN1CCNC(C1)C2=CC=CC=C2OC(C)C

InChI

InChI=1S/C21H33N3O4/c1-4-17(19(25)9-7-11-21(26)27)23-24-13-12-22-18(14-24)16-8-5-6-10-20(16)28-15(2)3/h5-6,8,10,15,17-18,22-23H,4,7,9,11-14H2,1-3H3,(H,26,27)